Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.71 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.65 |
| ▸ | HTR1D known ✓ | P28221 | 1/20 | 0.65 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.65 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.65 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.65 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.57 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.57 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.57 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | AKT1 | P31749 | 2/20 | 0.71 |
| ▸ | LMNA | P02545 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.71 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.71 |
| ▸ | PRKCG | P05129 | 1/20 | 0.71 |
| ▸ | PRKCB | P05771 | 1/20 | 0.71 |
| ▸ | PRKCA | P17252 | 1/20 | 0.71 |
| ▸ | PRKCH | P24723 | 1/20 | 0.71 |
| ▸ | PRKCI | P41743 | 1/20 | 0.71 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL94022 | 0.99 | ALDH1A1 (0.73) | ALDH1A1AKT1LMNAMEN1KMT2A | |
| SCHEMBL93475 | 0.99 | ALDH1A1 (0.73) | ALDH1A1AKT1LMNAMEN1KMT2A | |
| Water SCHEMBL2734485 | 0.93 | AKT1 (0.81) | ALDH1A1AKT1LMNAMEN1KMT2A | |
| SCHEMBL29905581 | 0.92 | ALDH1A1 (0.73) | ALDH1A1AKT1LMNAMEN1KMT2A | |
| SCHEMBL29394546 | 0.92 | ALDH1A1 (0.73) | ALDH1A1AKT1LMNAMEN1KMT2A | |
| SCHEMBL53200 | 0.92 | ALDH1A1 (0.73) | ALDH1A1AKT1LMNAMEN1KMT2A | |
| SCHEMBL29365750 | 0.92 | ALDH1A1 (0.73) | ALDH1A1AKT1LMNAMEN1KMT2A | |
| SCHEMBL417053 | 0.92 | AKT1 (0.83) | ALDH1A1AKT1LMNAMEN1KMT2A | |
| SCHEMBL10602960 | 0.92 | AKT1 (0.83) | ALDH1A1AKT1LMNAMEN1KMT2A | |
| SCHEMBL2733343 | 0.92 | AKT1 (0.83) | ALDH1A1AKT1LMNAMEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2425841-A1 | Methods Employing and Compositions Containing Defined Oxidized Phospholipids for Prevention and Treatment of Atherosclerosis | Vascular Biogenics Ltd. (IL) | 2012-03-07 | — | — | EP | disclosed |
| EP-1341543-A4 | METHODS EMPLOYING AND COMPOSITIONS CONTAINING DEFINED OXIDIZED PHOSPHOLIPIDS FOR PREVENTION AND TREATMENT OF ATHEROSCLEROSIS | VASCULAR BIOGENICS LTD (IL) | 2009-09-02 | — | — | EP | disclosed |
| EP-1341543-A2 | METHODS EMPLOYING AND COMPOSITIONS CONTAINING DEFINED OXIDIZED PHOSPHOLIPIDS FOR PREVENTION AND TREATMENT OF ATHEROSCLEROSIS | Vascular Biogenics Ltd. (IL) | 2003-09-10 | — | — | EP | disclosed |
| WO-2002041827-A9 | METHODS EMPLOYING AND COMPOSITIONS CONTAINING DEFINED OXIDIZED PHOSPHOLIPIDS FOR PREVENTION AND TREATMENT OF ATHEROSCLEROSIS | VASCULAR BIOGENICS LTD (IL) | 2003-05-30 | — | — | WO | disclosed |
| WO-2002041827-A2 | METHODS EMPLOYING AND COMPOSITIONS CONTAINING DEFINED OXIDIZED PHOSPHOLIPIDS FOR PREVENTION AND TREATMENT OF ATHEROSCLEROSIS | VASCULAR BIOGENICS LTD. (IL) | 2002-05-30 | — | — | WO | disclosed |